2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H26F2N4O4S — CID 71509678

IUPAC2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc12
InChIInChI=1S/C32H26F2N4O4S/c1-18-36-26-14-7-20(15-28(26)38(18)23-12-10-22(34)11-13-23)24-16-25-29(17-27(24)37(3)43(4,40)41)42-31(30(25)32(39)35-2)19-5-8-21(33)9-6-19/h5-17H,1-4H3,(H,35,39)
InChIKeyLYYNNKOTBXHIDZ-UHFFFAOYSA-N
MW600.65 g/mol
LogP6.45
Rot. Bonds6

About 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71509678) has the molecular formula C32H26F2N4O4S and a molecular weight of 600.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID71509678
Molecular FormulaC32H26F2N4O4S
Molecular Weight600.65 g/mol
Exact Mass600.16
IUPAC Name2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc12
InChIInChI=1S/C32H26F2N4O4S/c1-18-36-26-14-7-20(15-28(26)38(18)23-12-10-22(34)11-13-23)24-16-25-29(17-27(24)37(3)43(4,40)41)42-31(30(25)32(39)35-2)19-5-8-21(33)9-6-19/h5-17H,1-4H3,(H,35,39)
InChIKeyLYYNNKOTBXHIDZ-UHFFFAOYSA-N
XLogP6.45
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.65
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 77845572
2-(4-fluorophenyl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318214
5-(11-fluoro-5,6-dihydropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318815
2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxopyrido[3,2-d]pyrimidin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86763643
5-(11-fluoroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 90341025
5-(15-fluoro-6-oxo-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 117775248
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
CID 134828054
14-(4-fluorophenyl)-N,2-dimethyl-9-methylsulfonyl-13-oxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),4,6,11,14,16-hexaene-15-carboxamide
CID 57330990
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86764196
5-(10-fluoro-5H-pyrido[2',3':3,4]pyrrolo[1,2-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 90332545
5-(17-fluoro-3,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 90333582
5-(12-fluoro-6,7-dihydro-5H-pyrido[2',3':3,4]azepino[1,2-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 90333844

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71509678) is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is LYYNNKOTBXHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O4S/c1-18-36-26-14-7-20(15-28(26)38(18)23-12-10-22(34)11-13-23)24-16-25-29(17-27(24)37(3)43(4,40)41)42-31(30(25)32(39)35-2)19-5-8-21(33)9-6-19/h5-17H,1-4H3,(H,35,39).
What are the key properties of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 600.65 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71509678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).